1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene

C11H16 — CID 57089941

IUPAC1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C(CC)=CC=CC1(C)C
InChIInChI=1S/C11H16/c1-5-10-7-6-8-11(3,4)9(10)2/h6-8H,2,5H2,1,3-4H3
InChIKeyIXQHRPPOMVMCII-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds1

About 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene

1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene (PubChem CID 57089941) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene
PubChem CID57089941
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C(CC)=CC=CC1(C)C
InChIInChI=1S/C11H16/c1-5-10-7-6-8-11(3,4)9(10)2/h6-8H,2,5H2,1,3-4H3
InChIKeyIXQHRPPOMVMCII-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene (CID 57089941) is 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene is C=C1C(CC)=CC=CC1(C)C.
What is the InChIKey of 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene?
The InChIKey is IXQHRPPOMVMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-10-7-6-8-11(3,4)9(10)2/h6-8H,2,5H2,1,3-4H3.
What are the key properties of 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene?
1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-dimethyl-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 57089941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).